3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide

C15H23FN2O2S — CID 115421698

IUPAC3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCCC2C)cc(N)c1F
InChIInChI=1S/C15H23FN2O2S/c1-10-6-4-3-5-7-14(10)18-21(19,20)12-8-11(2)15(16)13(17)9-12/h8-10,14,18H,3-7,17H2,1-2H3
InChIKeyWVTXCSNXYPFSFH-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.96
Rot. Bonds3

About 3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide

3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide (PubChem CID 115421698) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
PubChem CID115421698
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCCC2C)cc(N)c1F
InChIInChI=1S/C15H23FN2O2S/c1-10-6-4-3-5-7-14(10)18-21(19,20)12-8-11(2)15(16)13(17)9-12/h8-10,14,18H,3-7,17H2,1-2H3
InChIKeyWVTXCSNXYPFSFH-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-fluoro-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 116791968
3-amino-4-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 115421485
3-amino-4-fluoro-5-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542872
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
3-amino-4-fluoro-5-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 115421285
4-amino-2,6-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 79588504
3-amino-4-fluoro-5-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 115421592
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
2-amino-5-bromo-4-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 106491879
5-amino-4-bromo-2-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 116530440
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
3-amino-N-(cyclobutylmethyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421211

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide (CID 115421698) is 3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCCCCC2C)cc(N)c1F.
What is the InChIKey of 3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide?
The InChIKey is WVTXCSNXYPFSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-10-6-4-3-5-7-14(10)18-21(19,20)12-8-11(2)15(16)13(17)9-12/h8-10,14,18H,3-7,17H2,1-2H3.
What are the key properties of 3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide?
3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide is sourced from PubChem (CID 115421698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).